1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

C17H26N4O3 — CID 72926706

IUPAC1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-19-9-6-18-15(19)12-21(10-11-22)17(24)14-4-7-20(8-5-14)16(23)13-2-3-13/h6,9,13-14,22H,2-5,7-8,10-12H2,1H3
InChIKeyRGNZGDYAKKTDMX-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.39
Rot. Bonds6

About 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide

1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 72926706) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
PubChem CID72926706
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
SMILESCn1ccnc1CN(CCO)C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C17H26N4O3/c1-19-9-6-18-15(19)12-21(10-11-22)17(24)14-4-7-20(8-5-14)16(23)13-2-3-13/h6,9,13-14,22H,2-5,7-8,10-12H2,1H3
InChIKeyRGNZGDYAKKTDMX-UHFFFAOYSA-N
XLogP0.39
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide (CID 72926706) is 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is Cn1ccnc1CN(CCO)C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RGNZGDYAKKTDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-19-9-6-18-15(19)12-21(10-11-22)17(24)14-4-7-20(8-5-14)16(23)13-2-3-13/h6,9,13-14,22H,2-5,7-8,10-12H2,1H3.
What are the key properties of 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide?
1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-N-(2-hydroxyethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72926706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).